N-isoquinolin-5-yl-2-[(2-methylphenyl)amino]-2-[4-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: N-isoquinolin-5-yl-2-[(2-methylphenyl)amino]-2-[4-(trifluoromethyl)phenyl]ethanamide Openeye Name: N-(5-isoquinolyl)-2-(2-methylanilino)-2-[4-(trifluoromethyl)phenyl]acetamide CAS Name: N-(5-isoquinolinyl)-2-(2-methylanilino)-2-[4-(trifluoromethyl)phenyl]acetamide IUPAC Name: N-isoquinolin-5-yl-2-(2-methylanilino)-2-[4-(trifluoromethyl)phenyl]acetamide Traditional Name: N-(5-isoquinolyl)-2-(o-toluidino)-2-[4-(trifluoromethyl)phenyl]acetamide Formula: C25H20F3N3O MolecularWeight: 435.44101

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC1=CC=CC=C1NC(C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H20F3N3O/c1-16-5-2-3-7-21(16)30-23(17-9-11-19(12-10-17)25(26,27)28)24(32)31-22-8-4-6-18-15-29-14-13-20(18)22/h2-15,23,30H,1H3,(H,31,32)